Project name: SH3_W118M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA118M
Energy difference between WT (input) and mutated protein (by FoldX)	0.241377 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.4748
• Maximal score value: 1.2489
• Average score: -0.9161
• Total score value: -54.9653

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3084
90	Y	A	-0.7279
91	D	A	-2.8353
92	Y	A	-2.0751
93	E	A	-2.8661
94	S	A	0.0000
95	R	A	-2.7827
96	T	A	-2.1592
97	E	A	-2.3575
98	T	A	-1.2503
99	D	A	-1.3569
100	L	A	0.0000
101	S	A	-1.8964
102	F	A	0.0000
103	K	A	-3.4748
104	K	A	-2.8557
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4363
111	V	A	1.2489
112	N	A	-0.4397
113	N	A	-1.8432
114	T	A	-1.7523
115	E	A	-2.9748
116	G	A	-2.6515
117	D	A	-2.7613
118	M	A	-1.4975	mutated: WA118M
119	W	A	-0.7777
120	L	A	0.3639
121	A	A	0.0000
122	H	A	-0.3851
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4133
129	T	A	-0.4990
130	G	A	0.0000
131	Y	A	0.1608
132	I	A	0.0000
133	P	A	-0.6195
134	S	A	-1.3455
135	N	A	-1.2771
136	Y	A	-0.2217
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759